1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

C17H21ClN2 — CID 62431544

IUPAC1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H21ClN2/c1-19-11-14-5-3-6-15(9-14)12-20(2)13-16-7-4-8-17(18)10-16/h3-10,19H,11-13H2,1-2H3
InChIKeyWDPDYRBURQODNQ-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.69
Rot. Bonds6

About 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine

1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (PubChem CID 62431544) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
PubChem CID62431544
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN(C)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C17H21ClN2/c1-19-11-14-5-3-6-15(9-14)12-20(2)13-16-7-4-8-17(18)10-16/h3-10,19H,11-13H2,1-2H3
InChIKeyWDPDYRBURQODNQ-UHFFFAOYSA-N
XLogP3.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-pyridinyl]-N-methylmethanamine
CID 106906091
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
3-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylaminomethyl)aniline
CID 63551540
N-[[2-[[(3-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62428885
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062
1-(3-chlorophenyl)-N-[[6-[[(3-chlorophenyl)methyl-methylamino]methyl]-3-pyridinyl]methyl]-N-methylmethanamine
CID 127045282
N-methyl-1-[3-[(methylideneamino)methyl]phenyl]methanamine
CID 142068728
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine (CID 62431544) is 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is CNCc1cccc(CN(C)Cc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
The InChIKey is WDPDYRBURQODNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-19-11-14-5-3-6-15(9-14)12-20(2)13-16-7-4-8-17(18)10-16/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine?
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine has a molecular weight of 288.82 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62431544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).